Hexitol
Basic information
- CAS
25878-23-3- Standard SMILES
OCC(O)C(O)C(O)C(O)CO- InChIKey
FBPFZTCFMRRESA-UHFFFAOYSA-N- Molecular formula
- C6H14O6
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.07903816
Overview
Hexane-1,2,3,4,5,6-hexol is a hexitol.
Names & identifiers
- Preferred name
- Hexitol
- IUPAC
- hexane-1,2,3,4,5,6-hexol
- English name
- D-Iditol
- Molecular formula
- C6H14O6
- Molecular weight
- 182.17
Names & synonyms
Hexitol45007-61-2RefChem:922939GlyTouCan:G78453GCCHEBI:24583G78453GChexane-1,2,3,4,5,6-hexolhexane-1,2,3,4,5,6-hexaolD-Glucitol-2-dD-Sorbitol-UL-14CSORBITOL, (D)D-Sorbitol-1-13C
Show more names
D-IditolD-Iditol>D-Iditol ,98%Sorbitol ImpurityD-Iditol USP/EP/BPSorbitol Impurity 1D-Iditol(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexaol
Fibrinogen fraction 1(from bovine plasma)C6H14O6D -GlucitolNSC1944NSC9256ResulaxSorbilaxSorbitur
Database identifiers
- CAS
25878-23-3、45007-61-2、50-70-4、608-66-2、69-65-8、87-78-5- PubChem CID
- 453
- DTXSID
DTXSID901378819- ChEBI
CHEBI:125392- Nikkaji
- J64.765I
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 230 °C · 230 °C
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- refractive index
- 3 ° · 3 ° (C=1, H2O)
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: 2 mg/ml,Ethanol: insol,PBS (pH 7.2): 5 mg/ml
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 13.14 · 13.14±0.20(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 25878 · 25878-23-3
- FDA UNII
- 82 FOM4R7CD · 82FOM4R7CD
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Health EffectsChronically high levels of galactitol are associated with at least 2 inborn errors of metabolism including: Galactosemia and Galactosemia type II.
Toxicity Summary
Accumulation of galactitol in the body has been shown to be toxic. Accumulation of galactitol in the lens causes the osmotic phenomena and results in cataract formation. It may form in excess in the lens of the eye in galactosemias, a deficiency of galactokinase.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501
Chemistry & industry
Uses & manufacturing
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Applications
UsesD-iditol is a sugar alcohol that accumulates in galactokinase deficiency.
UsesD-iditol is a sugar alcohol that accumulates in galactokinase deficiency.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: D-iditol is the D-enantiomer of iditol. It has a role as a fungal metabolite. It is an enantiomer of a L-iditol.
Related reactions
24 records
Compound notes
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